[AMBER] External electric field in Amber

From: Ignacio J. General via AMBER <amber.ambermd.org>
Date: Fri, 6 Jan 2023 12:48:49 -0300

Dear Amber users, I am studying the possibility of doing some kind of
electrophysiological measurements in an ion channel (protein in membrane,
explicit water and ions), using Amber, and I have been doing some initial
tests, just turning on the "efz" switch to turn on an electric field, but I
am not totally understanding the results. In particular, I find that the
membrane gets highly deformed after about 200 ns (with an E field of about
0.5V/50A, which I believe is a reasonable value). Also, I don't quite catch
the meaning of the "ELECTRIC_FIELD" energy in the out file, as it varies
much more than I would expect.

I couldn't find any documents or papers with people using the E field with
Amber, so I was wondering if someone has used it, and if anyone knows how
sure we are that it works fine. I just found a couple messages in the
reflector from where I concluded that the facility was not thoroughly
tested (but this was several years ago).

Any info on this would be really helpful. Thanks so much!

AMBER mailing list
Received on Fri Jan 06 2023 - 08:00:02 PST
Custom Search